2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid

C14H12ClNO3 — CID 43166912

IUPAC2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid
SMILESCCc1cccc(Oc2cc(C(=O)O)cc(Cl)n2)c1
InChIInChI=1S/C14H12ClNO3/c1-2-9-4-3-5-11(6-9)19-13-8-10(14(17)18)7-12(15)16-13/h3-8H,2H2,1H3,(H,17,18)
InChIKeyHHGJQTDDOGBAHF-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.79
Rot. Bonds4

About 2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid

2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid (PubChem CID 43166912) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid
PubChem CID43166912
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid
SMILESCCc1cccc(Oc2cc(C(=O)O)cc(Cl)n2)c1
InChIInChI=1S/C14H12ClNO3/c1-2-9-4-3-5-11(6-9)19-13-8-10(14(17)18)7-12(15)16-13/h3-8H,2H2,1H3,(H,17,18)
InChIKeyHHGJQTDDOGBAHF-UHFFFAOYSA-N
XLogP3.79
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343545
2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 43343574
2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 43352053
2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid
CID 43369927
2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343550
2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid
CID 113379603
2-chloro-6-propoxypyridine-4-carboxylic acid
CID 43247945
2-(3-ethylphenoxy)-1,3-benzoxazole-6-carboxylic acid
CID 116690133
2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417811
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine
CID 63986769
4-(3-ethylphenoxy)pyridine-2-carboxylic acid
CID 43326028

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid (CID 43166912) is 2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid is CCc1cccc(Oc2cc(C(=O)O)cc(Cl)n2)c1.
What is the InChIKey of 2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid?
The InChIKey is HHGJQTDDOGBAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-2-9-4-3-5-11(6-9)19-13-8-10(14(17)18)7-12(15)16-13/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of 2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid?
2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 43166912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).